Spectrum CCMSLIB00005720949 for (2-aminoethoxy)[2-(hexadecanoyloxy)-3-[octadec-1-en-1-yloxy]propoxy]phosphinic acid

Rating: (*)★(*)★(*)★(*)★(*)☆

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
C39H78NO7P
703.551590466
O=C(OC(COC=CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC
InChI=1S/C39H78NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h31,34,38H,3-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b34-31-/t38-/m1/s1
HEASGCOZOMIKFU-WBXWDXDJSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Lysate
qTof
703.552
1
ESI-_20-40eV_HCE_20M_2.mzXML
MS2
HCE-CELL-LYSATE-LIPIDS
O Laprevote, mpanitchpakdi, C-TAC
negative
2.772111149873815
0.527792619301008
702.539
[M-H]-
7.564656196963989 ppm
-0.005314465999958884 Da